875781-41-2

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine

2.1.2 InChI

InChI=1S/C9H12BrN3Si/c1-14(2,3)5-4-7-9(11)12-6-8(10)13-7/h6H,1-3H3,(H2,11,12)

2.1.3 InChI Key

LQJGZEFWBXJKJI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C[Si](C)(C)C#CC1=NC(=CN=C1N)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 875781-41-2

2. 5-bromo-3-[(trimethylsilyl)ethynyl]pyrazin-2-amine

3. 5-bromo-3-(2-(trimethylsilyl)ethynyl)pyrazin-2-amine

4. 5-bromo-3-(2-trimethylsilylethynyl)pyrazin-2-amine

5. Mfcd16660032

6. 5-bromo-3-trimethylsilanylethynylpyrazin-2-ylamine

7. C9h12brn3si

8. Schembl422711

9. Amy3323

10. Dtxsid80693833

11. Lqjgzefwbxjkji-uhfffaoysa-n

12. Cs-m3193

13. Akos015892473

14. Ds-14236

15. Sy011001

16. Ft-0716538

17. A850456

18. 5-bromo-3-trimethylsilanylethynyl-pyrazin-2-ylamine

19. J-516999

20. 5-bromo-3-((trimethylsilyl)ethynyl)pyrazine-2-amine

21. 5-bromo-3-(2-(trimethylsilyl)ethynyl)pyrazin-2-amine;5-bromo-3-[(trimethylsilyl)ethynyl]pyrazin-2-amine

2.3 Create Date

2011-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂BrN₃Si
Molecular Weight	270.20 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	51.8
Heavy Atom Count	14
Formal Charge	0
Complexity	262
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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